%chk=000111723.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111723

0 1
 S  -0.8071000      -2.833900     -0.5394000    
 S    2.331600      -2.347800     -0.1944000    
 S    5.276000      -1.827000      0.1359000    
 O    1.213100       1.185000      0.7163000    
 O    4.026400       1.446100      -1.506100    
 O    5.328800       2.821300     -0.2570000    
 N   -1.150300     -0.2840000      0.1622000    
 N    3.215100     -2.8300000E-02  0.5007000    
 C  -0.1541000      -1.246400     -4.3600000E-02
 C   -2.409800     -0.8231000     -0.1334000    
 C    1.175500      -1.110000      7.5700000E-02
 C   -3.644900     -3.6899999E-02 -7.8100003E-02
 C    1.832500      0.1589000      0.4680000    
 C   -2.406800      -2.119500     -0.5023000    
 C  -0.8971000       1.089500      0.5677000    
 C    4.122200       1.060100      0.8551000    
 C    3.692700      -1.294100      0.1819000    
 C   -4.394900      1.2200000E-02   1.100600    
 C   -4.080800      0.6686000      -1.203300    
 C   -5.570900      0.7603000       1.153400    
 C   -5.256900       1.416800      -1.150400    
 C    4.561600       1.869700     -0.3375000    
 C   -6.001900       1.462600      2.8100001E-02
 H   -3.282000      -2.695500     -0.7726000    
 H   -1.862600       1.607400      0.6697000    
 H  -0.4644000       1.695600     -0.2385000    
 H  -0.5637000       1.165400       1.610700    
 H    5.007800      0.6806000       1.370300    
 H    3.589300       1.742100       1.526900    
 H   -4.072000     -0.5285000       1.987200    
 H   -3.510800      0.6442000      -2.129200    
 H   -6.150900      0.7965000       2.071000    
 H   -5.592400       1.964000      -2.026400    
 H   -6.917400       2.045300      6.9300003E-02
 H    4.326800       1.988900      -2.265900    


%chk=000111723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111723

0 1
S -0.725732 -2.782757 -0.272232
S 2.406861 -2.178284 0.685431
S 5.411665 -1.415808 0.871764
O 1.366972 1.591725 -0.020027
O 4.403551 0.724012 -1.979330
O 5.981094 2.208604 -1.132057
N -1.255910 -0.273866 0.391307
N 3.282459 0.287801 0.458198
C -0.161186 -1.115359 0.226492
C -2.511378 -0.839318 0.013764
C 1.189163 -0.824310 0.420254
C -3.755738 -0.037079 -0.024320
C 1.857027 0.453320 0.273974
C -2.418883 -2.166481 -0.327186
C -1.156335 0.944797 1.233333
C 4.156553 1.451823 0.325863
C 3.794020 -0.985051 0.663455
C -4.967418 -0.582822 0.478147
C -3.773488 1.257193 -0.615051
C -6.172324 0.146350 0.386096
C -4.978362 1.985495 -0.698326
C 4.964844 1.503209 -0.970512
C -6.182082 1.433368 -0.199786
H -3.217185 -2.817325 -0.671958
H -2.167272 1.248728 1.538093
H -0.639046 1.753136 0.693707
H -0.557343 0.699381 2.128838
H 4.873684 1.492976 1.161644
H 3.499823 2.342339 0.352073
H -4.956345 -1.568775 0.956149
H -2.850600 1.678727 -1.029030
H -7.099004 -0.284660 0.779963
H -4.979608 2.978517 -1.160129
H -7.116453 2.000947 -0.265850
H 4.961677 0.795549 -2.800151


